>compound Capsaicin_Capsaicin
#instrument UPLC Q-Tof Premier, Waters
>formula C18H27NO3
#smiles CC(C)C=CCCCCC(=O)NCc(c1)cc(OC)c(O)c1
#RECORD LC-ESI-QTOF_train_data/PR100683.txt;LC-ESI-QTOF_train_data/PR100259.txt
>charge -1
>ionization [M-H]-
>parentmass 304.19128

>collision 5-60
168.1418 113.0
304.1913 15.26

>collision 5-60
94.0414 202.7
122.0368 286.8
137.0599 2148.0
170.1562 43.32
182.1551 72.58
306.2069 111.1

